Geometry & MOs

Info

ID:	322501
PubChem CID:	126670290
Reduced:	N2O5C25H42 (1)
Stoich.:	A2B5C25D42 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-178.15
Dipole, Da:	5.02
IP(EA), eV:	-8.92(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R)-1-phenyl-2-oxa-5-azabicyclo[2.2.0]hexane-5-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CC1CCN1C(=O)O[C@@H]2CC[C@]3(CO3)C([C@@H]2OC)[C@@]4([C@H](O4)CC=C(C)C)C

DOS

IR

Vibrations